SCHEMBL17326739

SCHEMBL17326739

CCCNC(=O)[C@H](CCc1ccccc1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(C(C)C(C)C)n1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 14/20 0.68
▸ PSMB5 P28074 1/20 0.43
▸ NTSR1 P30989 2/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNB4 P30926 1/20 0.39
▸ CHRNA3 P32297 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17929195 0.91 APLNR (0.61) APLNRNTSR1OPRM1OPRD1
SCHEMBL17326465 0.90 APLNR (0.63) APLNRNTSR1OPRM1OPRD1
SCHEMBL17326688 0.90 APLNR (0.78) APLNRNTSR1OPRM1OPRD1
SCHEMBL17326682 0.87 APLNR (0.88) APLNRPSMB5
SCHEMBL21229215 0.87 APLNR (0.88) APLNRPSMB5
SCHEMBL17326715 0.86 APLNR (0.78) APLNRPSMB5
SCHEMBL17929193 0.85 APLNR (0.57) APLNRL3MBTL1
SCHEMBL17326461 0.85 APLNR (0.78) APLNR
SCHEMBL17326707 0.85 APLNR (0.76) APLNRPSMB5
SCHEMBL17326742 0.84 APLNR (0.57) APLNR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190315693-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF RES TRIANGLE INST (US) 2019-10-17 — — US disclosed
US-10377718-B2 Apelin receptor (APJ) agonists and uses thereof RESEARCH TRIANGLE INSTITUTE (US) 2019-08-13 — — US disclosed
US-20160207889-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF RESEARCH TRIANGLE INSTITUTE 2016-07-21 — — US disclosed
US-20160207889-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF RESEARCH TRIANGLE INSTITUTE 2016-07-21 — — US disclosed
WO-2015188073-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF RESEARCH TRIANGLE INSTITUTE (US) 2015-12-10 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160207889-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF APLNR, AP1G1, APMAP APLNR 1/4885PSMB5 3507/4885NTSR1 15/4885
US-10377718-B2 Apelin receptor (APJ) agonists and uses thereof APLNR, AP1G1, APMAP APLNR 1/4885PSMB5 3507/4885NTSR1 15/4885
US-20190315693-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF APLNR, AP1G1, APMAP APLNR 1/4885PSMB5 3507/4885NTSR1 15/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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